Difference between revisions of "CPD-7003"

Revision as of 18:54, 14 January 2021

common-name:
- sinapoyl-coa
smiles:
- cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c=cc1(c=c(oc)c(o)=c(oc)c=1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
inchi-key:
- rbfuwesmwrugfy-gsnioflcsa-j
molecular-weight:
- 969.7

@@ Line 1: / Line 1: @@
 [[Category:metabolite]]
-== Metabolite CPD-17813 ==
+== Metabolite SINAPOYL-COA ==
 * common-name:
-** (2e,11z)-hexadec-2,11-dienoyl-coa
+** sinapoyl-coa
 * smiles:
-** ccccc=ccccccccc=cc(=o)sccnc(=o)ccnc(c(o)c(c)(c)cop([o-])(=o)op([o-])(=o)occ1(c(op(=o)([o-])[o-])c(o)c(o1)n3(c=nc2(c(n)=nc=nc=23))))=o
+** cc(c)(c(o)c(=o)nccc(=o)nccsc(=o)c=cc1(c=c(oc)c(o)=c(oc)c=1))cop(=o)(op(=o)(occ2(c(op([o-])(=o)[o-])c(o)c(o2)n4(c3(=c(c(n)=nc=n3)n=c4))))[o-])[o-]
 * inchi-key:
-** amssmxhtrodksm-fyyfncousa-j
+** rbfuwesmwrugfy-gsnioflcsa-j
 * molecular-weight:
-** 997.883
+** 969.7
 == Reaction(s) known to consume the compound ==
-* [[RXN-16558]]
+* [[RXN-1124]]
 == Reaction(s) known to produce the compound ==
+* [[RXN-10919]]
+* [[RXN-1124]]
 == Reaction(s) of unknown directionality ==
-{{#set: common-name=(2e,11z)-hexadec-2,11-dienoyl-coa}}
+{{#set: common-name=sinapoyl-coa}}
-{{#set: inchi-key=inchikey=amssmxhtrodksm-fyyfncousa-j}}
+{{#set: inchi-key=inchikey=rbfuwesmwrugfy-gsnioflcsa-j}}
-{{#set: molecular-weight=997.883}}
+{{#set: molecular-weight=969.7}}